2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide

C15H17N3O2 — CID 137013736

IUPAC2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCc1ccc(Oc2cc(/C(N)=N/O)cc(C)n2)c(C)c1
InChIInChI=1S/C15H17N3O2/c1-9-4-5-13(10(2)6-9)20-14-8-12(15(16)18-19)7-11(3)17-14/h4-8,19H,1-3H3,(H2,16,18)
InChIKeyAOCMBPRSUUUAFC-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.89
Rot. Bonds3

About 2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide

2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide (PubChem CID 137013736) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
PubChem CID137013736
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCc1ccc(Oc2cc(/C(N)=N/O)cc(C)n2)c(C)c1
InChIInChI=1S/C15H17N3O2/c1-9-4-5-13(10(2)6-9)20-14-8-12(15(16)18-19)7-11(3)17-14/h4-8,19H,1-3H3,(H2,16,18)
InChIKeyAOCMBPRSUUUAFC-UHFFFAOYSA-N
XLogP2.89
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013821
N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 137013810
2-(5-bromo-2,3-difluorophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 136860120
N'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide
CID 54934539
2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide
CID 114768122
2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013838
N'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 136865767
2-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013818
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 136794793
N'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide
CID 137013719
N'-hydroxy-3-methyl-4-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 55031079
N'-hydroxy-2-methyl-6-(3-phenylpropoxy)pyridine-4-carboximidamide
CID 137013796

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide (CID 137013736) is 2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide is Cc1ccc(Oc2cc(/C(N)=N/O)cc(C)n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The InChIKey is AOCMBPRSUUUAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-4-5-13(10(2)6-9)20-14-8-12(15(16)18-19)7-11(3)17-14/h4-8,19H,1-3H3,(H2,16,18).
What are the key properties of 2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide?
2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide has a molecular weight of 271.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 137013736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).